Table 2. 155 Target protein connections identified from Ding Chuan Tang compound molecular docking.
| Ding Chuan Tang herb | Compound code | Herb chemical compound | Target protein | ||||
|---|---|---|---|---|---|---|---|
| ESR1 | KDR | LTA4H | PDE4D | PPARG | |||
|
Ginkgo biloba L. (Bai Guo) |
Bg017 | catechin | √ | √ | √ | ||
| Bg014 | campherol | √ | √ | √ | |||
| Bg040 | β-sitosterol | √ | √ | √ | √ | ||
| Bg039 | stigmasterol | √ | √ | √ | √ | ||
| Bg037 | sciadopitysin | √ | √ | √ | √ | ||
| Bg036 | rutin | √ | √ | ||||
| Bg028 | isorhamnetine | √ | √ | ||||
| Bg001 | (−)-epicatechin | √ | √ | ||||
| Bg027 | hydroginkgolinic acid | √ | |||||
| Bg025 | ginkgolide C | √ | |||||
| Bg023 | ginkgolid B | √ | |||||
| Bg016 | cardanol | √ | |||||
| Bg013 | bilobil | √ | |||||
| Bg009 | anacardic acid B | √ | |||||
| Bg008 | anacardic acid A | √ | |||||
|
Ephedra sinica Stapf (Ma Huang) |
Mh026 | leucodelphinidin | √ | ||||
| Mh019 | dobutamine | √ | √ | ||||
| Mh022 | herbacetin | √ | √ | √ | |||
| Mh024 | kaempferol rhamnoside | √ | √ | √ | √ | ||
| Mh043 | tricin | √ | √ | ||||
| Perilla frutescens (L.) Britton (Su Zi) | Sz020 | rosmarinic acid | √ | √ | √ | ||
| Sz013 | luteolin | √ | √ | √ | |||
| Sz007 | chrysoeriol | √ | √ | √ | |||
| Sz019 | phytosterols | √ | √ | √ | √ | ||
| Sz014 | luteolin-7-O-glucoside | √ | √ | √ | √ | ||
| Sz002 | apigenin-7-O-glucoside | √ | √ | √ | √ | ||
| Sz031 | δ-tocopherol | √ | √ | √ | |||
| Sz030 | γ-tocopherol | √ | √ | √ | |||
| Sz029 | β-tocopherol | √ | √ | √ | |||
| Sz027 | α-tocopherol | √ | √ | ||||
| Sz005 | caffeic acid-3-O-glucoside | √ | |||||
| Sz028 | β-amyrin | √ | √ | ||||
| Sz021 | rosmarinic acid methyl ester | √ | √ | ||||
| Glycyrrhiza uralensis Fisch (Gan Cao) | Gc001 | 11-deoxoglycyrrhetinic | √ | √ | √ | ||
| Gc002 | 18β-glycyrrhetinic acid | √ | √ | √ | |||
| Gc003 | 2,4,4’-trihydroxychalcone | √ | √ | ||||
| Gc004 | 3,3’-dimethylquercetin | √ | √ | √ | |||
| Gc005 | 3’-methoxyglabridin | √ | √ | √ | √ | ||
| Gc006 | 3-hydroxyglabrol | √ | √ | √ | √ | √ | |
| Gc007 | 4′-O-methylglabridin | √ | √ | √ | √ | ||
| Gc010 | 5-O-methyl licoricidin | √ | √ | √ | √ | ||
| Gc011 | 7-O-methylluteone | √ | √ | √ | |||
| Gc013 | apioside | √ | √ | √ | √ | ||
| Gc015 | dehydroglyasperin C | √ | √ | √ | √ | ||
| Gc016 | dehydroglyasperin D | √ | √ | ||||
| Gc018 | formononetin | √ | √ | √ | |||
| Gc019 | gancaonin A | √ | √ | √ | √ | ||
| Gc020 | gancaonin B | √ | √ | √ | √ | ||
| Gc021 | gancaonin C | √ | √ | √ | √ | ||
| Gc022 | gancaonin D | √ | √ | √ | √ | ||
| Gc023 | gancaonin E | √ | √ | √ | √ | ||
| Gc024 | gancaonin F | √ | √ | √ | √ | ||
| Gc025 | gancaonin p-3′-methylether | √ | √ | √ | √ | ||
| Gc026 | glabranin | √ | √ | √ | √ | √ | |
| Gc028 | glabrol | √ | √ | √ | |||
| Gc029 | glisoflavanone | √ | √ | √ | √ | ||
| Gc032 | glycocoumarin | √ | √ | √ | |||
| Gc033 | glycybenzofuran | √ | √ | ||||
| Gc034 | glycyrin | √ | √ | ||||
| Gc035 | glycyrol | √ | √ | √ | √ | ||
| Gc036 | glycyrrhetic acid acetate | √ | √ | ||||
| Gc037 | glycyrrhetol | √ | √ | ||||
| Gc038 | glycyrrhisoflavanone | √ | √ | √ | √ | ||
| Gc040 | glycyrrhiza-flavonol A | √ | √ | √ | √ | ||
| Gc043 | glyuranolide | √ | √ | ||||
| Gc044 | glyzaglabrin | √ | √ | √ | √ | ||
| Gc045 | hemileiocarpin | √ | √ | √ | √ | ||
| Gc046 | hispaglabridin A | √ | √ | √ | √ | ||
| Gc047 | hispaglabridin B | √ | √ | √ | √ | ||
| Gc049 | isoglycyrol | √ | √ | √ | √ | ||
| Gc050 | isolicoflavonol | √ | √ | √ | √ | ||
| Gc051 | isoliquiritin | √ | √ | √ | √ | ||
| Gc053 | isoquercitrin | √ | √ | √ | √ | ||
| Gc054 | isotrifoliol | √ | √ | √ | √ | √ | |
| Gc056 | kanzonol F | √ | √ | √ | √ | ||
| Gc057 | kanzonol h | √ | √ | √ | √ | ||
| Gc058 | licocoumarone | √ | √ | √ | √ | ||
| Gc059 | licochalcone A | √ | √ | ||||
| Gc060 | licocoumarone | √ | √ | √ | √ | ||
| Gc061 | licofuranocoumarin | √ | √ | √ | |||
| Gc062 | licoisoflavone | √ | √ | √ | √ | ||
| Gc064 | licoleafol | √ | √ | √ | √ | ||
| Gc065 | licopyranocoumarin | √ | √ | √ | √ | ||
| Gc077 | licoricidin | √ | √ | √ | √ | ||
| Gc078 | licoricone | √ | |||||
| Gc080 | liquiritin | √ | √ | √ | √ | √ | |
| Gc085 | neoliquiritin | √ | √ | √ | √ | ||
| Gc087 | ononin | √ | √ | √ | √ | ||
| Gc088 | paratocarpin B | √ | √ | √ | √ | ||
| Gc089 | phaseollinisoflavan | √ | √ | √ | √ | ||
| Gc090 | semilicoisoflavone B | √ | √ | √ | √ | ||
| Gc092 | uralene | √ | √ | ||||
| Gc093 | uralenin | √ | √ | √ | √ | ||
| Gc094 | uralenneoside | √ | |||||
| Gc095 | uralenol | √ | √ | √ | √ | ||
| Gc096 | uralenol-3-methylether | √ | √ | √ | √ | ||
|
Tussilago farfara L. (Kuan Dong Hua) |
Kd004 | bauerenol | √ | √ | |||
| Kd005 | faradiol | √ | √ | ||||
| Kd009 | kaempferol-3-O-glucoside | √ | √ | √ | |||
| Kd013 | senecionine | √ | |||||
| Kd015 | tussilagonone | √ | |||||
| Prunus armeniaca L. (Xing Ren) | Xr016 | prunasine | √ | √ | |||
|
Morus alba L. (Sang Bai Pi) |
Sb003 | α-acetyl-amyrin | √ | √ | |||
| Sb004 | cyclomorusin | √ | √ | √ | √ | ||
| Sb005 | cyclomulberrin | √ | √ | √ | √ | √ | |
| Sb006 | ecdysterone | √ | √ | ||||
| Sb007 | eudraflavone β hydroperoxide | √ | √ | √ | √ | ||
| Sb008 | kuwanon C | √ | √ | √ | √ | ||
| Sb010 | kuwanon L | √ | √ | √ | √ | ||
| Sb011 | kuwanon S | √ | √ | √ | √ | ||
| Sb012 | kuwanon T | √ | √ | √ | √ | ||
| Sb013 | leachianone G | √ | √ | √ | √ | √ | |
| Sb016 | moracin E | √ | √ | √ | √ | ||
| Sb019 | morocin P | √ | √ | √ | √ | ||
| Sb020 | morusin | √ | √ | √ | √ | ||
| Sb021 | mulberrofuran B | √ | √ | √ | √ | ||
| Sb026 | mulberrofuran N | √ | |||||
| Sb029 | mulberrofuran Q | √ | √ | √ | |||
| Sb031 | mulberroside C | √ | √ | √ | √ | ||
| Sb032 | oxydihydromorusin | √ | √ | √ | √ | ||
| Sb033 | oxyresveratrol | √ | |||||
| Sb035 | sanggenol A | √ | √ | √ | √ | ||
| Sb036 | sanggenol L | √ | √ | √ | √ | ||
| Sb037 | sanggenol O | √ | √ | √ | √ | ||
| Sb039 | sanggenon F | √ | √ | √ | √ | √ | |
| Sb041 | sanggenon N | √ | √ | √ | √ | √ | |
| Scutellaria baicalensis Georgi (Huang Qin) | Hq003 | 2′,3′,5,7-tetrahydroxyflavone | √ | √ | √ | ||
| Hq005 | 3,5,7,2′,6′-pentahydroxy flavanon | √ | |||||
| Hq008 | 5,2′-dihydroxy-6,7,8-trimethoxyflav | √ | |||||
| Hq009 | 5,6-dihydroxy-7-O-glucoside-flavone | √ | √ | √ | √ | ||
| Hq010 | 5,7,2′,3′-tetrahydroxyflavone | √ | √ | √ | |||
| Hq011 | 5,7,2′,6′-tetrahydroxyflavone | √ | √ | ||||
| Hq012 | 5,7,2′-trihydroxyflavon | √ | √ | ||||
| Hq014 | 5,8,2′-trihydroxy-7- methoxyflavone | √ | |||||
| Hq015 | 5,8-dihydroxy-6,7-dimethoxyflavone | √ | √ | √ | |||
| Hq016 | 5-hydroxy-7,8-dimethoxyflavone | √ | |||||
| Hq020 | chrysin-7-glucuronide | √ | √ | √ | √ | ||
| Hq021 | dihydrobaicalin | √ | √ | √ | √ | ||
| Hq022 | dihydrooroxylin A | √ | √ | ||||
| Hq023 | eriodictyol | √ | √ | √ | |||
| Hq027 | oroxylin A | √ | √ | ||||
| Hq029 | panicolin | √ | |||||
| Hq030 | scutellarin | √ | √ | √ | √ | ||
| Hq031 | scutevulin | √ | √ | ||||
| Hq033 | wogonin | √ | √ | ||||
| Hq034 | wogonoside | √ | √ | ||||
|
Pinellia
ternata (Thunb.) Makino (Ban Xia) |
Bx030 | baicalin | √ | √ | √ | √ | |
| Bx033 | bis-(4-hydroxybenzyl) ether | √ | |||||
| Bx034 | bisabolene | √ | |||||
| Bx040 | cycloartenol | √ | √ | √ | |||
| Bx042 | daucosterol | √ | √ | √ | √ | ||
| Bx058 | methyl phenanthrene | √ | √ | ||||
| Bx060 | octadecane | √ | |||||
| Bx065 | sachaliside 1 | √ | √ | ||||
| Bx066 | shogaol | √ | |||||
Note:
Bg, Bai Guo; Bx, Ban Xia; ESR1, Estrogen receptors alpha; Gc, Gan Cao; Hq, Huang Qin; KDR, Kinase insert domain receptor; Kd, Kuan Dong Hua; LTA4H, Leukotriene A4 hydrolase; Mh, Ma Huang; PDE4D, cAMP-specific 3’,5’-cyclic phosphodiesterase 4D; PPARG, Peroxisome proliferator-activated receptor gamma; Sb, Sang Bai Pi; Sz, Su Zi; Xr, Xing Ren.